1-[(2-ethoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-(2-ethoxybenzyl)-4-mesyl-piperazin-1-ium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H22N2O3S/c1-3-19-14-7-5-4-6-13(14)12-15-8-10-16(11-9-15)20(2,17)18/h4-7H,3,8-12H2,1-2H3/p+1